4327-0166 Screening compound: 5-[4-(3-bromobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

4327-0166 Screening compound: 5-[4-(3-bromobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
4327-0166 Screening compound: 5-[4-(3-bromobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-0166
5-[4-(3-bromobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4327-0166

Molecular Formula

C27H29BrN4O5 (C27 H29 BrN4 O5)

Compound Name

5-[4-(3-bromobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline

IUPAC name

5-[4-(3-bromobenzoyl)piperazin-1-yl]-N-[2-(34-dimethoxyphenyl)ethyl]-2-nitroaniline

SMILES

COc(ccc(CCNc(cc(cc1)N(CC2)CCN2C(c2cccc(Br)c2)=O)c1[N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C27H29BrN4O5/c1-36-25-9-6-19(16-26(25)37-2)10-11-29-23-18-22(7-8-24(23)32(34)35)30-12-14-31(15-13-30)27(33)20-4-3-5-21(28)17-20/h3-9,16-18,29H,10-15H2,1-2H3

InChI Key

YQRLGTXVPZMNHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.381

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.38

Polar Surface Area

77.867

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with 4327-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-0166?
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What is the minimum amount of 4327-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-0166
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4327-0166 available by request